(E)-N-(4-methyl-2-oxidanyl-phenyl)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enamide

Systemtic Name: (E)-N-(4-methyl-2-oxidanyl-phenyl)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enamide Openeye Name: (E)-N-(2-hydroxy-4-methyl-phenyl)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enamide CAS Name: (E)-N-(2-hydroxy-4-methylphenyl)-3-(6-nitro-1,3-benzodioxol-5-yl)-2-propenamide IUPAC Name: (E)-N-(2-hydroxy-4-methylphenyl)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enamide Traditional Name: (E)-N-(2-hydroxy-4-methyl-phenyl)-3-(6-nitro-1,3-benzodioxol-5-yl)acrylamide Formula: C17H14N2O6 MolecularWeight: 342.30286

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)C=CC2=CC3=C(C=C2[N+](=O)[O-])OCO3)O

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)/C=C/C2=CC3=C(C=C2[N+](=O)[O-])OCO3)O

InChI

InChI=1S/C17H14N2O6/c1-10-2-4-12(14(20)6-10)18-17(21)5-3-11-7-15-16(25-9-24-15)8-13(11)19(22)23/h2-8,20H,9H2,1H3,(H,18,21)/b5-3+